2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride

C15H25ClN2O2 — CID 3060237

IUPAC2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCCCCNCC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-4-10-16-13-15(18)17(2)11-12-19-14-8-6-5-7-9-14;/h5-9,16H,3-4,10-13H2,1-2H3;1H
InChIKeyWTGRYOSPXSLTDF-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.34
Rot. Bonds9

About 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride

2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride (PubChem CID 3060237) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
PubChem CID3060237
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCCCCNCC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-4-10-16-13-15(18)17(2)11-12-19-14-8-6-5-7-9-14;/h5-9,16H,3-4,10-13H2,1-2H3;1H
InChIKeyWTGRYOSPXSLTDF-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
acetic acid;butoxybenzene
CID 162338086
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride (CID 3060237) is 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride is CCCCNCC(=O)N(C)CCOc1ccccc1.Cl.
What is the InChIKey of 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The InChIKey is WTGRYOSPXSLTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-4-10-16-13-15(18)17(2)11-12-19-14-8-6-5-7-9-14;/h5-9,16H,3-4,10-13H2,1-2H3;1H.
What are the key properties of 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 3060237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).